DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:08 UTC
Update Date	2025-03-25 00:51:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02190195
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₂N₆O₅
Molecular Mass	308.0869
SMILES	CC(=O)NC(C(=O)O)C(=O)C1=Nc2c([nH]c(N)nc2=O)NC1
InChI Key	RDWOLPIRVQVRIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	n-acyl-alpha amino acids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,3-dicarbonyl compounds acetamides alpha amino acids amino acids azacyclic compounds beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids heteroaromatic compounds hydrocarbon derivatives ketimines monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	beta-hydroxy ketone ketimine carbonyl group carboxylic acid amino acid imine pyrimidone pteridine beta-keto acid pyrimidine propargyl-type 1,3-dipolar organic compound ketone organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound acetamide vinylogous amide pterin azacycle n-acyl-alpha-amino acid heteroaromatic compound organic 1,3-dipolar compound secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound keto acid hydrocarbon derivative primary amine organic nitrogen compound 1,3-dicarbonyl compound amine organooxygen compound

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